SCHEMBL534242

SCHEMBL534242

CCOC(=O)C(=O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM1 P11229 2/20 0.41
GAA P10253 1/20 0.41
NAAA Q02083 1/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7636018 1.00 CES2 (0.52) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL7638404 1.00 CES2 (0.52) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL165885 0.98 ALDH1A1 (0.49) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL873425 0.94 ALDH1A1 (0.44) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL6642281 0.89 MAPT (0.47) ALDH1A1MAPTGAA
SCHEMBL21361181 0.85 ALDH1A1 (0.46) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL10011600 0.83 ALDH1A1 (0.51) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL5612199 0.83 ALDH1A1 (0.51) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL5612207 0.83 ALDH1A1 (0.51) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL10011604 0.83 ALDH1A1 (0.51) CES2CES1ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004771-A Method for producing organic sulfinate compound 中国石油化工股份有限公司 2025-05-16 CN claimed
CN-120004771-A Method for producing organic sulfinate compound 中国石油化工股份有限公司 2025-05-16 CN disclosed
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 EP disclosed
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2022-12-08 US disclosed
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 US disclosed
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
US-20200308119-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2020-10-01 US disclosed
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2020-05-28 US disclosed
CN-111170991-A Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2020-05-19 CN disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 US disclosed
CN-1302286-A Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters FIRMENICH & CIE (CH) 2001-07-04 CN disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 EP disclosed
US-6025177-A ENANTIOSELECTIVE SYNTHESIS OF CHIRAL ALPHA-HYDROXYCARBOXYLATE BY REACTING A PROCHIRAL ALPHA-KETOCARBOXYLIC ACID WITH A SINGLE ENANTIOMER OF AN N-SUBSTITUTED VICINAL AMINOALCOHOL OF SPECIFIC CYCLOHYDROCARBONS TO FORM ALPHA-HYDROXYCARBOXYLATE SEPRACOR INC. (US) 2000-02-15 US disclosed
US-6013830-A CHEMICAL INTERMEDIATES FOR OXYBUTYNIN, OXYPHENCYCLIMINE, OXYPHENONIUM BROMIDE, OXYPYRRONIUM BROMIDE, AND OXYSONIUM IODIDE, FOR WHICH CYCLOHEXYLPHENYLGLYCOLIC ACID (CHPGA) IS OF SPECIAL INTEREST; STEREOSELECTIVITY SEPRACOR INC. (US) 2000-01-11 US disclosed
WO-1999050205-A2 ASYMMETRIC GRIGNARD SYNTHESIS WITH CYCLIC 1,2 AMINOALCOHOLS SEPRACOR INC. (US) 1999-10-07 WO disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
EP-0098012-B1 PROCESS FOR PREPARING (O-HYDROXYARYL)-METHANOLS BLASCHIM S.p.A. (IT) 1986-09-17 EP disclosed
EP-0098012-A2 Process for preparing (o-hydroxyaryl)-methanols BLASCHIM S.p.A. (IT) 1984-01-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CES2 1769/4885CES1 2941/4885ALDH1A1 247/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A CES2 1108/4885CES1 2090/4885ALDH1A1 2035/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX CES2 1769/4885CES1 2941/4885ALDH1A1 247/4885
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX CES2 1769/4885CES1 2941/4885ALDH1A1 247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.